methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate

C10H15N3O2 — CID 112546548

IUPACmethyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNC(c2ccnn2C)C1
InChIInChI=1S/C10H15N3O2/c1-13-9(3-4-12-13)8-5-7(6-11-8)10(14)15-2/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeySHEFQCIRVLVXDS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.24
Rot. Bonds2

About methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate

methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate (PubChem CID 112546548) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate
PubChem CID112546548
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNC(c2ccnn2C)C1
InChIInChI=1S/C10H15N3O2/c1-13-9(3-4-12-13)8-5-7(6-11-8)10(14)15-2/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeySHEFQCIRVLVXDS-UHFFFAOYSA-N
XLogP0.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate (CID 112546548) is methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate is COC(=O)C1CNC(c2ccnn2C)C1.
What is the InChIKey of methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate?
The InChIKey is SHEFQCIRVLVXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-9(3-4-12-13)8-5-7(6-11-8)10(14)15-2/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate?
methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112546548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).